(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C11H8F4N4O2 — CID 6904039

IUPAC(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFC(F)Oc1ccc(/C=N/n2cnnc2)c(OC(F)F)c1
InChIInChI=1S/C11H8F4N4O2/c12-10(13)20-8-2-1-7(9(3-8)21-11(14)15)4-18-19-5-16-17-6-19/h1-6,10-11H/b18-4+
InChIKeyMRGOXJHSXDPPPQ-JJPRUIFNSA-N
MW304.20 g/mol
LogP2.36
Rot. Bonds6

About (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6904039) has the molecular formula C11H8F4N4O2 and a molecular weight of 304.20 g/mol. Its IUPAC name is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6904039
Molecular FormulaC11H8F4N4O2
Molecular Weight304.20 g/mol
Exact Mass304.06
IUPAC Name(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFC(F)Oc1ccc(/C=N/n2cnnc2)c(OC(F)F)c1
InChIInChI=1S/C11H8F4N4O2/c12-10(13)20-8-2-1-7(9(3-8)21-11(14)15)4-18-19-5-16-17-6-19/h1-6,10-11H/b18-4+
InChIKeyMRGOXJHSXDPPPQ-JJPRUIFNSA-N
XLogP2.36
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2,4-dimethoxyphenyl)methylidene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5342674
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
4H-1,2,4-Triazol-4-amine, N-[(2-methoxyphenyl)methylene]-
CID 5337603
N-[(E)-(2,4-dimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5331185
1,2,4-Triazole, 4-(3,4,5-trimethoxybenzylidenamino)-
CID 5332250
4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzene-1,3-diol
CID 135400284
(E)-1-(2,6-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 156010589
(E)-1-(4-fluoro-3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 156012224
(E)-1-(2-fluoro-4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 156017450
N-[(E)-{4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl}methylidene]-1H-1,2,4-triazol-1-amine
CID 6858979
N-[(E)-(4-methoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858566
1-[(Z)-2-(2,4-Dimethoxy-phenyl)-2-isopropoxy-vinyl]-1H-[1,2,4]triazole
CID 44309269

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 6904039) is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is FC(F)Oc1ccc(/C=N/n2cnnc2)c(OC(F)F)c1.
What is the InChIKey of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is MRGOXJHSXDPPPQ-JJPRUIFNSA-N. The full InChI is InChI=1S/C11H8F4N4O2/c12-10(13)20-8-2-1-7(9(3-8)21-11(14)15)4-18-19-5-16-17-6-19/h1-6,10-11H/b18-4+.
What are the key properties of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 304.20 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6904039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).